5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C15H21N3O3 — CID 114429335

IUPAC5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC1CCNC(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C15H21N3O3/c1-2-10-5-6-16-13(7-10)14(19)18-9-11-3-4-12(15(20)21)17-8-11/h3-4,8,10,13,16H,2,5-7,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyHVFGZKXSHFZYQK-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.17
Rot. Bonds5

About 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 114429335) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID114429335
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCC1CCNC(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C15H21N3O3/c1-2-10-5-6-16-13(7-10)14(19)18-9-11-3-4-12(15(20)21)17-8-11/h3-4,8,10,13,16H,2,5-7,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyHVFGZKXSHFZYQK-UHFFFAOYSA-N
XLogP1.17
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 114428575
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100617
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 114428577
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
5-[(cyclopent-3-ene-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099202
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 114429032
5-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81099828

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 114429335) is 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is CCC1CCNC(C(=O)NCc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is HVFGZKXSHFZYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-10-5-6-16-13(7-10)14(19)18-9-11-3-4-12(15(20)21)17-8-11/h3-4,8,10,13,16H,2,5-7,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114429335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).